5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine

C30H23F3N6 — CID 137113856

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137113856) has the molecular formula C30H23F3N6 and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137113856
• Molecular Formula: C30H23F3N6
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.19
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: Fc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cc12
• InChI: InChI=1S/C30H23F3N6/c31-24-6-2-1-4-21(24)20-5-3-7-25-22(20)11-27(36-25)29-23-12-26(35-15-28(23)37-38-29)19-10-18(13-34-14-19)16-39-9-8-30(32,33)17-39/h1-7,10-15,36H,8-9,16-17H2,(H,37,38)
• InChIKey: MHHHOQJJCDNILZ-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 137113856) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cc12.

What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is MHHHOQJJCDNILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6/c31-24-6-2-1-4-21(24)20-5-3-7-25-22(20)11-27(36-25)29-23-12-26(35-15-28(23)37-38-29)19-10-18(13-34-14-19)16-39-9-8-30(32,33)17-39/h1-7,10-15,36H,8-9,16-17H2,(H,37,38).

What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine?

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 524.55 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137113856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).